methyl 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazolidin-1-yl]piperidin-1-yl]-2-methyl-propanoate

Systemtic Name: methyl 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazolidin-1-yl]piperidin-1-yl]-2-methyl-propanoate Openeye Name: methyl 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-imidazolidin-1-yl]-1-piperidyl]-2-methyl-propanoate CAS Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-1-imidazolidinyl]-1-piperidinyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-2-methylpropanoate Traditional Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazin[2,3-d]azepin-3-yl)-2-keto-imidazolidin-1-yl]piperidino]-2-methyl-propionic acid methyl ester Formula: C23H36N6O3 MolecularWeight: 444.57034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=NC=C(N=C2CC1)N3CCN(C3=O)C4CCN(CC4)CC(C)C(=O)OC

Isomeric SMILES

CCN1CCC2=NC=C(N=C2CC1)N3CCN(C3=O)C4CCN(CC4)CC(C)C(=O)OC

InChI

InChI=1S/C23H36N6O3/c1-4-26-11-7-19-20(8-12-26)25-21(15-24-19)29-14-13-28(23(29)31)18-5-9-27(10-6-18)16-17(2)22(30)32-3/h15,17-18H,4-14,16H2,1-3H3